Information card for entry 4068716

Structure parameters

• Formula: C31 H47 N3 O11 Pd3
• Calculated formula: C31 H47 N3 O11 Pd3
• SMILES: [Pd]12(OC(=CC(=[O]1)C)C)=C1N(C(=[Pd]3(OC(=CC(=[O]3)C)C)CC3=[O][Pd]4([O]=C(C2)C=C(O4)C)OC(=C3)C)N(N1C)C)C.O=C(C)C.O=C(C)C.O
• Title of publication: Palladium Complexes with Triazolyldiylidene. Structural Features and Catalytic Applications
• Authors of publication: Zanardi, Alessandro; Mata, José A.; Peris, Eduardo
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1480
• a: 14.854 ± 0.002 Å
• b: 13.0012 ± 0.0018 Å
• c: 20.665 ± 0.003 Å
• α: 90°
• β: 104.379 ± 0.003°
• γ: 90°
• Cell volume: 3865.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.139
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.2047
• Weighted residual factors for all reflections included in the refinement: 0.2394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No